Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{[(2-methylphenyl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL023736
SMILES O=C1N(N=C(/C/1=C/Nc1ccccc1C)C(F)(F)F)c1nc2c(s1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H13F3N4OS MW 402.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N4OS/c1-11-6-2-3-7-13(11)23-10-12-16(19(20,21)22)25-26(17(12)27)18-24-14-8-4-5-9-15(14)28-18/h2-10,23H,1H3/b12-10-InChIKey
PVVNVGTVVZZGQY-BENRWUELSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(((2methylphenyl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4((2METHYLANILINO)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4((otolylamino)methylene)3(trifluoromethyl)1Hpyrazol5(4H)one
CC1=CC=CC=C1NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F
InChI=1SC19H13F3N4OSc111623713(11)23101216(19(2021)22)2526(17(12)27)182414845915(14)2818h21023H1H3b1210
MFCD02614403
O=C1N(N=C(C1=CNc1ccccc1C)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000100107963
ZINC100107963
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